Re: [Wien] Electrostatic potential in the superlattices

2017-05-17 Thread Gavin Abo
My suggestion is that you look at "Table 4.2: Input and output files of utility programs" in the WIEN2k 16.1 usersguide (on page 35) [ http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf ]. In your email, you say that you used "lapw5 lapw5.def". So under the 'program' column

[Wien] Electrostatic potential in the superlattices

2017-05-17 Thread Subhasis Samanta
Dear Laskowski, I want to plot electrostatic potential of the superlattices along z-axis. So I followed few steps as you mentioned in one of the wien2k thread. x lapw0 x lapw5 -d lapw5 lapw5.def I have successfully executed all these commands. From which file can I get

[Wien] installation error in lapwso and lapw1

2017-05-17 Thread fatima DFT
Dear Prof. Peter, I tried to install the recent version of Wien2k on an Intel Xeon Phi coprocessors based cluster with, composer_xe_2013.1.117, mpiifort, mpiicc and fftw-3.3.4. Everything went perfectly while I faced the same issue reported earlier: